3,4-di(propan-2-yl)-1,2,5-thiadiazole;methane

C9H18N2S — CID 157399663

IUPAC3,4-di(propan-2-yl)-1,2,5-thiadiazole;methane
SMILESC.CC(C)c1nsnc1C(C)C
InChIInChI=1S/C8H14N2S.CH4/c1-5(2)7-8(6(3)4)10-11-9-7;/h5-6H,1-4H3;1H4
InChIKeyBMZNDVPCWPUORX-UHFFFAOYSA-N
MW186.32 g/mol
LogP3.42
Rot. Bonds2

About 3,4-di(propan-2-yl)-1,2,5-thiadiazole;methane

3,4-di(propan-2-yl)-1,2,5-thiadiazole;methane (PubChem CID 157399663) has the molecular formula C9H18N2S and a molecular weight of 186.32 g/mol. Its IUPAC name is 3,4-di(propan-2-yl)-1,2,5-thiadiazole;methane.

Molecular Properties

Compound Name3,4-di(propan-2-yl)-1,2,5-thiadiazole;methane
PubChem CID157399663
Molecular FormulaC9H18N2S
Molecular Weight186.32 g/mol
Exact Mass186.12
IUPAC Name3,4-di(propan-2-yl)-1,2,5-thiadiazole;methane
SMILESC.CC(C)c1nsnc1C(C)C
InChIInChI=1S/C8H14N2S.CH4/c1-5(2)7-8(6(3)4)10-11-9-7;/h5-6H,1-4H3;1H4
InChIKeyBMZNDVPCWPUORX-UHFFFAOYSA-N
XLogP3.42
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.32
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,4-di(propan-2-yl)-1,2,5-thiadiazole;methane?
The IUPAC name of 3,4-di(propan-2-yl)-1,2,5-thiadiazole;methane (CID 157399663) is 3,4-di(propan-2-yl)-1,2,5-thiadiazole;methane.
What is the SMILES notation for 3,4-di(propan-2-yl)-1,2,5-thiadiazole;methane?
The canonical SMILES for 3,4-di(propan-2-yl)-1,2,5-thiadiazole;methane is C.CC(C)c1nsnc1C(C)C.
What is the InChIKey of 3,4-di(propan-2-yl)-1,2,5-thiadiazole;methane?
The InChIKey is BMZNDVPCWPUORX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2S.CH4/c1-5(2)7-8(6(3)4)10-11-9-7;/h5-6H,1-4H3;1H4.
What are the key properties of 3,4-di(propan-2-yl)-1,2,5-thiadiazole;methane?
3,4-di(propan-2-yl)-1,2,5-thiadiazole;methane has a molecular weight of 186.32 g/mol, XLogP of 3.42, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-di(propan-2-yl)-1,2,5-thiadiazole;methane is sourced from PubChem (CID 157399663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).